⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6876223 | 1.00 | — | — | |
| SCHEMBL20561166 | 0.93 | — | — | |
| SCHEMBL2921971 | 0.93 | — | — | |
| SCHEMBL7046289 | 0.73 | — | — | |
| SCHEMBL14191783 | 0.72 | — | — | |
| SCHEMBL11731881 | 0.72 | — | — | |
| SCHEMBL12437160 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11491266 | 0.70 | — | — | |
| SCHEMBL11882247 | 0.70 | OR51E2 (0.33) | — | |
| SCHEMBL11882251 | 0.70 | OR51E2 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1444225-A2 | PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. | Applied Research Systems ARS Holding N.V. (AN) | 2004-08-11 | — | — | EP | disclosed |
| WO-2002102799-A2 | PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2002-12-27 | — | — | WO | disclosed |